Basic information
- CAS
75996-85-9- Standard SMILES
CCOC(=O)Cc1c(C(=O)O)c2ccccc2n1C- InChIKey
FEBHIQDTVWTKHU-UHFFFAOYSA-N- Molecular formula
- C14H15NO4
- Average molar mass
- 261.27 g/mol
- Monoisotopic mass
- 261.10010796
Names & identifiers
- Preferred name
- 2-Ethoxycarbonylmethyl-1-methylindole-3-carboxylic acid
- IUPAC
- 2-(2-ethoxy-2-oxoethyl)-1-methylindole-3-carboxylic acid
Names & synonyms
2-Ethoxycarbonylmethyl-1-methylindole-3-carboxylic acid75996-85-9CCRIS 38718JX9AX6TKNDTXSID002268892-Ethyl 3-carboxy-1-methyl-1H-indole-2-acetate1H-Indole-2-acetic acid, 3-carboxy-1-methyl-, 2-ethyl ester2-(2-Ethoxy-2-oxoethyl)-1-methyl-1H-indole-3-carboxylic acid
Database identifiers
- CAS
75996-85-9- PubChem CID
- 150693
- DTXSID
DTXSID00226889- UNII
- 8JX9AX6TKN
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 68.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 357
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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